NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4704 8.1776 115.4126 58.2296 64.6297 174.6533 2 E 3.9864 7.8105 120.3141 58.8735 29.9132 176.4134 3 A 4.2396 8.6827 122.3920 54.3167 19.0920 180.5261 4 L 4.0304 7.8143 116.9850 57.6445 42.0407 179.1815 5 K 4.7319 7.7039 118.9818 59.4212 32.5425 179.4368 6 I 3.7477 7.4344 120.1031 64.1176 36.7793 178.2080 7 L 4.0807 7.4678 118.1549 57.6740 41.7718 178.9968 8 N 4.7186 8.0639 116.8308 54.6900 38.7391 173.9527 9 N 4.6278 7.8722 118.7995 51.4989 37.9709 175.2245 10 I 3.6799 8.1444 124.0614 63.9598 38.1446 177.3275 11 R 3.9247 8.0259 118.4731 59.5764 29.7432 178.9988 12 T 3.8347 7.7783 114.8136 66.6814 68.5786 176.4643 13 L 3.9815 7.7079 122.1717 57.8446 41.7016 178.8254 14 R 3.8525 8.5856 119.0751 59.5197 29.7903 178.4131 15 A 4.0162 7.6120 118.6725 55.2379 18.5905 179.3571 16 Q 4.0684 7.9242 116.3965 58.9289 28.7816 178.6609 17 A 4.0718 8.4954 122.3062 54.9578 18.1656 179.7570 18 R 4.0212 7.6344 115.5089 58.3393 30.0542 177.1101 19 E 4.5314 7.6083 117.5215 55.7456 29.6708 174.6763 20 C 4.9304 7.7590 113.9387 57.3184 32.1140 174.3575 21 T 4.3319 8.0496 112.0085 60.9581 71.0152 175.5593 22 L 3.9625 8.3290 122.8944 58.0828 41.9733 178.6427 23 E 3.9775 8.1844 117.2834 59.9848 29.4080 179.2854 24 T 3.9356 7.4836 116.6267 66.1608 68.4573 176.8233 25 L 4.0677 7.6651 121.2318 57.5484 41.5676 179.3936 26 E 3.9634 8.2278 118.8042 59.4144 29.4218 179.1505 27 E 3.9735 7.9825 118.5210 59.6929 29.6295 179.2935 28 M 4.0671 8.0293 118.7383 58.3618 32.0250 178.6157 29 L 3.9860 7.9676 120.5082 57.8457 42.1942 178.6541 30 E 3.9155 8.0726 119.3894 59.2204 29.5901 178.8984 31 K 3.9329 8.0117 118.5086 59.4749 32.1425 179.0929 32 L 3.9499 7.8482 120.2320 58.1462 41.9134 178.8468 33 E 3.9695 8.2996 118.6046 59.4507 29.3294 179.5504 34 V 3.5735 7.9997 118.3710 65.8467 31.4197 178.2946 35 V 3.5777 8.0184 118.2866 65.9799 31.4002 178.2744 36 V 3.6278 7.9639 118.0631 66.0114 31.3611 177.8434 37 N 4.4139 8.4851 116.5347 56.1184 37.9233 177.2800 38 E 3.9774 8.5523 120.6184 59.5655 29.5558 179.6273 39 R 4.0711 7.8776 117.9818 59.0218 30.0036 179.2491 40 R 3.9286 8.0055 118.2119 59.1393 30.0320 178.6099 41 E 3.9099 8.2180 119.2294 59.2525 29.6220 178.5511 42 E 3.9679 7.9024 118.1769 59.2556 29.4647 178.6754 43 E 3.9885 8.1536 118.0245 59.3845 29.5999 178.9377 44 S 4.2272 8.2914 112.5254 61.0403 62.4904 175.7412 45 A 4.1175 7.9722 122.9039 54.7175 18.2278 177.6562 46 A 4.2443 7.8456 122.8479 52.5128 18.6949 177.1427 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 S 8.18 4.47 0.00 4.02 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 E 7.81 3.99 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 3 A 8.68 4.24 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 7.81 4.03 0.00 1.61 1.74 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 5 K 7.70 4.73 0.00 2.02 2.14 0.00 1.58 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.33 7.81 6 I 7.43 3.75 2.09 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.79 0.91 0.00 0.00 7 L 7.47 4.08 0.00 1.85 1.74 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.06 4.72 0.00 2.96 2.86 0.00 0.00 6.78 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 7.87 4.63 0.00 2.84 2.77 0.00 0.00 6.54 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.14 3.68 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.22 0.91 0.00 0.00 11 R 8.03 3.92 0.00 1.89 1.97 0.00 3.18 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 12 T 7.78 3.83 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 13 L 7.71 3.98 0.00 1.70 1.66 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.59 3.85 0.00 2.05 2.12 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 15 A 7.61 4.02 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 7.92 4.07 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 17 A 8.50 4.07 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.63 4.02 0.00 2.00 2.01 0.00 3.15 0.00 0.00 3.15 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 19 E 7.61 4.53 0.00 1.88 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 20 C 7.76 4.93 0.00 2.96 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.05 4.33 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 22 L 8.33 3.96 0.00 1.78 1.70 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.18 3.98 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 24 T 7.48 3.94 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 25 L 7.67 4.07 0.00 1.85 1.71 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.23 3.96 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.49 0.00 27 E 7.98 3.97 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 28 M 8.03 4.07 0.00 2.08 2.36 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.55 0.00 29 L 7.97 3.99 0.00 1.95 1.73 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.07 3.92 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 31 K 8.01 3.93 0.00 2.03 1.84 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.49 7.81 32 L 7.85 3.95 0.00 1.92 1.66 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.30 3.97 0.00 2.35 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 34 V 8.00 3.57 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.02 0.00 0.00 35 V 8.02 3.58 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.98 0.00 0.00 36 V 7.96 3.63 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.00 0.00 0.00 37 N 8.49 4.41 0.00 3.02 2.85 0.00 0.00 7.01 8.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.55 3.98 0.00 2.24 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 39 R 7.88 4.07 0.00 1.91 1.97 0.00 3.29 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 40 R 8.01 3.93 0.00 2.02 1.98 0.00 3.13 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 41 E 8.22 3.91 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 42 E 7.90 3.97 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 43 E 8.15 3.99 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 44 S 8.29 4.23 0.00 4.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.97 4.12 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.85 4.24 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00